SCHEMBL8091759

SCHEMBL8091759

CC1CCC(C)([C@H](NC(=O)c2cccc(Cl)c2Cl)c2ccccc2)N(C)C1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 18/20 0.67
SLC6A5 Q9Y345 1/20 0.43
GPR139 Q6DWJ6 1/20 0.42
P2RX7 Q99572 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8085504 1.00 SLC6A9 (0.67) SLC6A9SLC6A5GPR139P2RX7
SCHEMBL13970228 0.90 SLC6A9 (0.55) SLC6A9SLC6A5
SCHEMBL8086612 0.90 SLC6A9 (0.55) SLC6A9SLC6A5
SCHEMBL8085384 0.88 SLC6A9 (0.69) SLC6A9
SCHEMBL13970173 0.88 SLC6A9 (0.69) SLC6A9
SCHEMBL13970066 0.88 SLC6A9 (0.69) SLC6A9
SCHEMBL8086589 0.87 SLC6A9 (0.52) SLC6A9SLC6A5
SCHEMBL8088678 0.85 SLC6A9 (0.48) SLC6A9SLC6A5
SCHEMBL13970230 0.85 SLC6A9 (0.58) SLC6A9SLC6A5
SCHEMBL13970108 0.85 SLC6A9 (0.48) SLC6A9SLC6A5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009013535-A1 2-AZABICYCLO(2.2.2)OCTANE DERIVATIVES AS MODULATORS OF THE GLYCINE TRANSPORTER I RECEPTOR ASTRAZENECA AB (SE) 2009-01-29 WO disclosed